[gmx-users] GMXLIB does not induce residuetype.dat
m.ebert at umontreal.ca
Fri Oct 2 18:18:36 CEST 2015
thanks for the answer. in the console i wrote:
the shell is GNU bash, version 4.1.2(1)-release
> On Oct 2, 2015, at 9:22 AM, João M. Damas <jmdamas at itqb.unl.pt> wrote:
> How are you defining the GMXLIB variable in your script? Please give us
> some more information (inputs and outputs) for us to be able to help you.
> On Thu, Oct 1, 2015 at 9:21 PM, Ebert Maximilian <m.ebert at umontreal.ca>
>> Dear list,
>> I have my own force field working folder so I cloned the entire top folder
>> to no mess with the original files. I added residues to the residue type
>> file to add my residues to the protein group. My FF is included due to the
>> GMXLIB environmental variable but my modified residuestype.dat not. Any
>> idea why?
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> João M. Damas
> PhD Student
> Protein Modelling Group
> ITQB-UNL, Oeiras, Portugal
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